3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methyl-N-piperonyl-benzamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N2O5S/c1-16-6-8-18(13-21(16)30(26,27)24-10-4-2-3-5-11-24)22(25)23-14-17-7-9-19-20(12-17)29-15-28-19/h6-9,12-13H,2-5,10-11,14-15H2,1H3,(H,23,25)